HRID158352

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7914

Isopropyl ether

C6H14O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID67668

4-Chloro-7-(trifluoromethyl)quinoline

C10H5ClF3N

HCID589098

Methyl indole-3-carboxylate

C10H9NO2

PRODUCTS

生成物

结构：COC(=O)c1cn(-c2ccnc3cc(C(F)(F)F)ccc23)c2ccccc12

HCID68970594

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac2ef876dac84601913dab01cd60d66f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1](=[O:2])([O-:3])[O-:4].[CH3:22][O:23][C:24](=[O:25])[c:26]1[cH:27][nH:28][c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]12.[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH:47]([O:48][CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:7][c:8]1[cH:9][cH:10][n:11][c:12]2[cH:13][c:14]([C:18]([F:19])([F:20])[F:21])[cH:15][cH:16][c:17]12.[K+:5].[K+:6].[OH2:46]>>[c:8]1(-[n:28]2[cH:27][c:26]([C:24]([O:23][CH3:22])=[O:25])[c:34]3[c:29]2[cH:30][cH:31][cH:32][cH:33]3)[cH:9][cH:10][n:11][c:12]2[cH:13][c:14]([C:18]([F:19])([F:20])[F:21])[cH:15][cH:16][c:17]12